N-but-1-en-2-yl-4-ethyl-1H-pyrazol-5-amine

C9H15N3 — CID 143628989

IUPACN-but-1-en-2-yl-4-ethyl-1H-pyrazol-5-amine
SMILESC=C(CC)Nc1[nH]ncc1CC
InChIInChI=1S/C9H15N3/c1-4-7(3)11-9-8(5-2)6-10-12-9/h6H,3-5H2,1-2H3,(H2,10,11,12)
InChIKeyTVGOVRVJONHUJE-UHFFFAOYSA-N
MW165.24 g/mol
LogP2.31
Rot. Bonds4

About N-but-1-en-2-yl-4-ethyl-1H-pyrazol-5-amine

N-but-1-en-2-yl-4-ethyl-1H-pyrazol-5-amine (PubChem CID 143628989) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is N-but-1-en-2-yl-4-ethyl-1H-pyrazol-5-amine.

Molecular Properties

Compound NameN-but-1-en-2-yl-4-ethyl-1H-pyrazol-5-amine
PubChem CID143628989
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC NameN-but-1-en-2-yl-4-ethyl-1H-pyrazol-5-amine
SMILESC=C(CC)Nc1[nH]ncc1CC
InChIInChI=1S/C9H15N3/c1-4-7(3)11-9-8(5-2)6-10-12-9/h6H,3-5H2,1-2H3,(H2,10,11,12)
InChIKeyTVGOVRVJONHUJE-UHFFFAOYSA-N
XLogP2.31
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-diethyl-4-methyl-1H-pyrazol-5-amine
CID 12552925
N-(4-ethyl-1H-pyrazol-5-yl)acetamide
CID 11789408
4-tert-butyl-N-ethyl-1H-pyrazol-5-amine
CID 58477481
4-tert-butyl-N-methyl-1H-pyrazol-5-amine
CID 58477493
4-tert-butyl-N-ethyl-N-methyl-1H-pyrazol-5-amine
CID 58477495
4-tert-butyl-5-pyrrolidin-1-yl-1H-pyrazole
CID 58477498
4-tert-butyl-N,N-diethyl-1H-pyrazol-5-amine
CID 58477506
N-pentyl-4-prop-2-enyl-1H-pyrazol-5-amine
CID 67647527
4-ethyl-N,N-dimethyl-1H-pyrazol-5-amine
CID 68222969
4-ethyl-5-pyrrolidin-1-yl-1H-pyrazole
CID 68222975
1-(4-ethyl-1H-pyrazol-5-yl)piperidine
CID 68223079
4-ethyl-N-methyl-N-propyl-1H-pyrazol-5-amine
CID 68223082

Frequently Asked Questions

What is the IUPAC name of N-but-1-en-2-yl-4-ethyl-1H-pyrazol-5-amine?
The IUPAC name of N-but-1-en-2-yl-4-ethyl-1H-pyrazol-5-amine (CID 143628989) is N-but-1-en-2-yl-4-ethyl-1H-pyrazol-5-amine.
What is the SMILES notation for N-but-1-en-2-yl-4-ethyl-1H-pyrazol-5-amine?
The canonical SMILES for N-but-1-en-2-yl-4-ethyl-1H-pyrazol-5-amine is C=C(CC)Nc1[nH]ncc1CC.
What is the InChIKey of N-but-1-en-2-yl-4-ethyl-1H-pyrazol-5-amine?
The InChIKey is TVGOVRVJONHUJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-4-7(3)11-9-8(5-2)6-10-12-9/h6H,3-5H2,1-2H3,(H2,10,11,12).
What are the key properties of N-but-1-en-2-yl-4-ethyl-1H-pyrazol-5-amine?
N-but-1-en-2-yl-4-ethyl-1H-pyrazol-5-amine has a molecular weight of 165.24 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-1-en-2-yl-4-ethyl-1H-pyrazol-5-amine is sourced from PubChem (CID 143628989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).